SCHEMBL4902091

SCHEMBL4902091

O=[N+]([O-])c1[c]cc(O)c(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 4/20 0.34
GPR35 Q9HC97 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
MAPK1 P28482 2/20 0.32
TP53 P04637 2/20 0.32
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HIF1A Q16665 2/20 0.32
SNCA P37840 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
TTR P02766 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3274968 0.82 SNCA (0.39) CA12CA1CA2CA9GPR35
SCHEMBL3036984 0.78 GPR35 (0.46) CA12CA1CA2CA9GPR35
SCHEMBL11909458 0.77 VCP (0.38) ALDH1A1MAPK1HIF1AMAPTTDP1
SCHEMBL3046926 0.74 GPR35 (0.46) CA12CA1CA2CA9GPR35
SCHEMBL6506181 0.73 ATM (0.37) ALDH1A1MAPK1HIF1AMAPTTDP1
SCHEMBL21808035 0.73 HTT (0.38) ALDH1A1SMN1; SMN2KDM4EMEN1MAPT
SCHEMBL6036448 0.73 ALDH1A1 (0.42) ALDH1A1MAPK1SMN1; SMN2KDM4EMEN1
SCHEMBL28394133 0.69 PKM (0.40) ALDH1A1MAPK1SMN1; SMN2KDM4EMEN1
SCHEMBL27818989 0.69 ALDH1A1 (0.33) ALDH1A1HPGDTSHRHIF1AALOX15
SCHEMBL28738082 0.69 HTT (0.38) ALDH1A1KDM4EMEN1MAPTALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221120-A1 Modulation of Aquaporin in Modulation of Angiogenesis and Cell Migration THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US claimed
WO-2006102483-A2 MODULATION OF AQUAPORIN IN MODULATON OF ANGIOGENESIS AND CELL MIGRATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-09-28 WO claimed
US-20080221120-A1 Modulation of Aquaporin in Modulation of Angiogenesis and Cell Migration THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed
WO-2006102483-A2 MODULATION OF AQUAPORIN IN MODULATON OF ANGIOGENESIS AND CELL MIGRATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-09-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080221120-A1 Modulation of Aquaporin in Modulation of Angiogenesis and Cell Migration AQP1, AQP3, AQP4 CA12 1821/4885CA1 2140/4885CA2 397/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.